smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C	ZINC001359712450	1064260878	/nfs/dbraw/zinc/26/08/78/1064260878.db2.gz	SCOYGWRSUCKBJS-DEOSSOPVSA-N	1	3	477.701	4.640	20	30		JJEDHO
CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C	ZINC001359712450	1064260886	/nfs/dbraw/zinc/26/08/86/1064260886.db2.gz	SCOYGWRSUCKBJS-DEOSSOPVSA-N	1	3	477.701	4.640	20	30		JJEDHO
CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccsc2)N(C)C)CC1	ZINC001360092892	1064964738	/nfs/dbraw/zinc/96/47/38/1064964738.db2.gz	WQDHSNGVRITPSV-VWLOTQADSA-N	1	3	491.709	4.738	20	30		JJEDHO
CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccsc2)N(C)C)CC1	ZINC001360092892	1064964742	/nfs/dbraw/zinc/96/47/42/1064964742.db2.gz	WQDHSNGVRITPSV-VWLOTQADSA-N	1	3	491.709	4.738	20	30		JJEDHO
CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C	ZINC001359712451	1064260946	/nfs/dbraw/zinc/26/09/46/1064260946.db2.gz	SCOYGWRSUCKBJS-XMMPIXPASA-N	1	3	477.701	4.640	20	30		JJEDHO
CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C	ZINC001359712451	1064260952	/nfs/dbraw/zinc/26/09/52/1064260952.db2.gz	SCOYGWRSUCKBJS-XMMPIXPASA-N	1	3	477.701	4.640	20	30		JJEDHO
CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCC[NH+]1CCC(C)CC1	ZINC001359841505	1064528687	/nfs/dbraw/zinc/52/86/87/1064528687.db2.gz	QIDKAMYDTBDFAR-UHFFFAOYSA-N	1	3	491.728	4.573	20	30		JJEDHO
Cc1ccc(C[NH+]2CCC3(CCN(c4nccnc4C(C#N)C(=O)OC(C)(C)C)CC3)CC2)cc1	ZINC001164759992	721046526	/nfs/dbraw/zinc/04/65/26/721046526.db2.gz	SUPZVEVZCJPESJ-QHCPKHFHSA-N	1	3	475.637	4.617	20	30		JJEDHO
CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccsc2)N(C)C)CC1	ZINC001360092891	1064964813	/nfs/dbraw/zinc/96/48/13/1064964813.db2.gz	WQDHSNGVRITPSV-RUZDIDTESA-N	1	3	491.709	4.738	20	30		JJEDHO
CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccsc2)N(C)C)CC1	ZINC001360092891	1064964820	/nfs/dbraw/zinc/96/48/20/1064964820.db2.gz	WQDHSNGVRITPSV-RUZDIDTESA-N	1	3	491.709	4.738	20	30		JJEDHO
Cc1ccc(C[NH+]2CCC3(CCN(c4nccnc4C(C#N)C(=O)OC(C)(C)C)CC3)CC2)cc1	ZINC001164759991	721046630	/nfs/dbraw/zinc/04/66/30/721046630.db2.gz	SUPZVEVZCJPESJ-HSZRJFAPSA-N	1	3	475.637	4.617	20	30		JJEDHO
CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC001359947974	1064699449	/nfs/dbraw/zinc/69/94/49/1064699449.db2.gz	QSRAXSNPAMZUFB-UHFFFAOYSA-N	1	3	491.728	4.744	20	30		JJEDHO